1. Huimin Gao, Rui Shi, Youliang Zhu, Hujun Qian*, and Zhong-Yuan Lu*, Coarse-grained Dynamics Simulation in Polymer Systems: from Structures to Material Properties. Chem. Res. Chinese Universities 2022, 38, 653-670.
2. Huimin Gao, Li Zhao, Kun Liu, and Zhong-Yuan Lu*, Polymerization-Induced Reassembly of Gemini Molecules toward Generating Porous Two-Dimensional Polymers. J. Phys. Chem. Lett. 2021, 12, 2340-2347.
3. Ji-Yuan Xing, Sheng Li, Li-Jun Ma, Huimin Gao*, Hong Liu*, and Zhong-Yuan Lu. Understanding of Supramolecular Emulsion Interfacial Polymerization in Silico. J. Chem. Phys. 2021, 154, 184903.
4. Huimin Gao, Bing Li, Ran Zhang, Zhaoyan Sun*, and Zhong-Yuan Lu*, Free Energy for Inclusion of Nanoparticles in Solvated Polymer Brushes from Molecular Dynamics Simulations. J. Chem. Phys. 2020, 152, 094905.
5. Hua Yu†, Shaoyong Lu†, Huimin Gao†, Zhong-Yuan Lu*, Kun Liu*, General Criteria for Evaluating Suitable Polymer Ligands for the Synthesis of Aluminum Nanocrystals. Chem. Commun. 2020, 56, 217-220.
6. Huimin Gao, Hong Liu, Ran Zhang, and Zhong-Yuan Lu*, Structure Evolution of Binary Ligands on Nanoparticles Triggered by Competition between Adsorption Reaction and Phase Separation. J. Phys. Chem. B 2019, 123, 10311-10321.
7. Yang Li, Huimin Gao, Huan Yu, Hua Yu, Yang Yang, Heng-Chong Shi, Zhong-Yuan Lu, Kun Liu*, Two Dimensional Polymers with Versatile Functionalities via Gemini Monomers. Sci. Adv. 2019, 5, eaaw9120.
8. Huimin Gao, Hong Liu, Hujun Qian, Guisheng Jiao, and Zhong-Yuan Lu*, Multiscale Simulations of Ligand Adsorption and Exchange on Gold Nanoparticles. Phys. Chem. Chem. Phys. 2018, 20, 1381-1394.
9. Huimin Gao, Zhong-Yuan Lu, Hong Liu, Zhaoyan Sun*, Lijia An, Orientation and Surface Activity of Janus Particles at Fluid-Fluid Interfaces. J. Chem. Phys. 2014, 141, 134907.
10. Huimin Gao, Hong Liu*, Zhong-Yuan Lu, Zhaoyan Sun*, Lijia An, The Structures of Thin Layer formed by Microphase Separation of Grafted Y-shaped Block Copolymers in Solutions. J. Chem. Phys. 2013, 138, 224905.